5-benzyl-1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1,2,4-triazole-3-carboxamide

C23H21N5O — CID 42880955

IUPAC5-benzyl-1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)NCc3ccccn3)nc2Cc2ccccc2)cc1
InChIInChI=1S/C23H21N5O/c1-17-10-12-20(13-11-17)28-21(15-18-7-3-2-4-8-18)26-22(27-28)23(29)25-16-19-9-5-6-14-24-19/h2-14H,15-16H2,1H3,(H,25,29)
InChIKeyFNNKGBZJLZYIQY-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.49
Rot. Bonds6

About 5-benzyl-1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1,2,4-triazole-3-carboxamide

5-benzyl-1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1,2,4-triazole-3-carboxamide (PubChem CID 42880955) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 5-benzyl-1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-benzyl-1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1,2,4-triazole-3-carboxamide
PubChem CID42880955
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name5-benzyl-1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)NCc3ccccn3)nc2Cc2ccccc2)cc1
InChIInChI=1S/C23H21N5O/c1-17-10-12-20(13-11-17)28-21(15-18-7-3-2-4-8-18)26-22(27-28)23(29)25-16-19-9-5-6-14-24-19/h2-14H,15-16H2,1H3,(H,25,29)
InChIKeyFNNKGBZJLZYIQY-UHFFFAOYSA-N
XLogP3.49
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-benzyl-1-(4-methylphenyl)-N-prop-2-ynyl-1,2,4-triazole-3-carboxamide
CID 42692876
5-benzyl-1-phenyl-N-(3-phenylpropyl)-1,2,4-triazole-3-carboxamide
CID 42692840
2-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-N-(pyridin-2-ylmethyl)-1,2,4-triazine-6-carboxamide
CID 42835907
7-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 36714293
4-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)-3,5-dioxo-N-(pyridin-2-ylmethyl)-1,2,4-triazine-6-carboxamide
CID 42835945
1-(4-ethylphenyl)-3,6-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928099
2,6-dimethyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 18107562
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 9206139
2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 110329692
3-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 110496991
5-benzyl-N-(1-methylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692844
1-(4-chlorophenyl)-5-methyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1,2,4-triazole-3-carboxamide
CID 78885968

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-benzyl-1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1,2,4-triazole-3-carboxamide (CID 42880955) is 5-benzyl-1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-benzyl-1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-benzyl-1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1,2,4-triazole-3-carboxamide is Cc1ccc(-n2nc(C(=O)NCc3ccccn3)nc2Cc2ccccc2)cc1.
What is the InChIKey of 5-benzyl-1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is FNNKGBZJLZYIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-17-10-12-20(13-11-17)28-21(15-18-7-3-2-4-8-18)26-22(27-28)23(29)25-16-19-9-5-6-14-24-19/h2-14H,15-16H2,1H3,(H,25,29).
What are the key properties of 5-benzyl-1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1,2,4-triazole-3-carboxamide?
5-benzyl-1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 383.46 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42880955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).